5-ethenyl-1-methylimidazole

C6H8N2 — CID 15086461

IUPAC5-ethenyl-1-methylimidazole
SMILESC=Cc1cncn1C
InChIInChI=1S/C6H8N2/c1-3-6-4-7-5-8(6)2/h3-5H,1H2,2H3
InChIKeyAUHSAHIUCMNMLS-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.06
Rot. Bonds1

About 5-ethenyl-1-methylimidazole

5-ethenyl-1-methylimidazole (PubChem CID 15086461) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-ethenyl-1-methylimidazole.

Molecular Properties

Compound Name5-ethenyl-1-methylimidazole
PubChem CID15086461
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name5-ethenyl-1-methylimidazole
SMILESC=Cc1cncn1C
InChIInChI=1S/C6H8N2/c1-3-6-4-7-5-8(6)2/h3-5H,1H2,2H3
InChIKeyAUHSAHIUCMNMLS-UHFFFAOYSA-N
XLogP1.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methylimidazole?
The IUPAC name of 5-ethenyl-1-methylimidazole (CID 15086461) is 5-ethenyl-1-methylimidazole.
What is the SMILES notation for 5-ethenyl-1-methylimidazole?
The canonical SMILES for 5-ethenyl-1-methylimidazole is C=Cc1cncn1C.
What is the InChIKey of 5-ethenyl-1-methylimidazole?
The InChIKey is AUHSAHIUCMNMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-6-4-7-5-8(6)2/h3-5H,1H2,2H3.
What are the key properties of 5-ethenyl-1-methylimidazole?
5-ethenyl-1-methylimidazole has a molecular weight of 108.14 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methylimidazole is sourced from PubChem (CID 15086461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).